N-[1-(3,4-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

C15H24F2N2 — CID 103716762

IUPACN-[1-(3,4-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(NCCCN(C)C(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H24F2N2/c1-11(2)19(4)9-5-8-18-12(3)13-6-7-14(16)15(17)10-13/h6-7,10-12,18H,5,8-9H2,1-4H3
InChIKeyKKDHJZVDPVSAFT-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.35
Rot. Bonds7

About N-[1-(3,4-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

N-[1-(3,4-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 103716762) has the molecular formula C15H24F2N2 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID103716762
Molecular FormulaC15H24F2N2
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(NCCCN(C)C(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H24F2N2/c1-11(2)19(4)9-5-8-18-12(3)13-6-7-14(16)15(17)10-13/h6-7,10-12,18H,5,8-9H2,1-4H3
InChIKeyKKDHJZVDPVSAFT-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103881310
N-[1-(3,4-difluorophenyl)ethyl]pentan-1-amine
CID 43177678
5-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]benzene-1,3-diol
CID 106040787
N-[1-(4-chloro-3-fluorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 82994703
N'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine
CID 103882819
N-[1-(3,4-difluorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 113350434
N-[1-(3,4-difluorophenyl)ethyl]-6-methylsulfanylhexan-1-amine
CID 104537272
N'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 106040066
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-N',N'-dimethylbutane-1,4-diamine
CID 82994195
N-[1-(3,4-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097372
N-[1-(4-chlorophenyl)propyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040410
N'-methyl-N-[1-(3-nitrophenyl)ethyl]-N'-propan-2-ylpropane-1,3-diamine
CID 103716757

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (CID 103716762) is N-[1-(3,4-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is CC(NCCCN(C)C(C)C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is KKDHJZVDPVSAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2/c1-11(2)19(4)9-5-8-18-12(3)13-6-7-14(16)15(17)10-13/h6-7,10-12,18H,5,8-9H2,1-4H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
N-[1-(3,4-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 270.37 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 103716762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).